CAS 851977-79-2 - C20H19N3O5S
TL;DR: CAS 851977-79-2 - C20H19N3O5S (CAS 851977-79-2) is a chemical compound with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(E)-but-2-enoyl]amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate
Also Known As: ethyl 5-[(2Z)-but-2-enamido]-3-(4-methoxyphenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
| Molecular Formula | C20H19N3O5S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 3.1471 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.10455 |
| Heavy Atoms | 29 |
| Complexity | 1145.3733 |
Chemical Identifiers
| CAS Number | 851977-79-2 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)NC(=O)/C=C/C)C3=CC=C(C=C3)OC |
Product Overview
CAS 851977-79-2 - C20H19N3O5S (CAS 851977-79-2), with molecular formula C20H19N3O5S and molecular weight 413.10 g/mol. IUPAC: ethyl 5-[[(E)-but-2-enoyl]amino]-3-(4-methoxyphenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxylate.
Chemical Property Profile of CAS 851977-79-2 - C20H19N3O5S
Property Insights of CAS 851977-79-2 - C20H19N3O5S
The XLogP value of 3.1471 indicates that CAS 851977-79-2 - C20H19N3O5S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 851977-79-2 - C20H19N3O5S. Following Lipinski's Rule of Five, CAS 851977-79-2 - C20H19N3O5S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 851977-79-2 - C20H19N3O5S?
The CAS number of CAS 851977-79-2 - C20H19N3O5S is 851977-79-2.
What is the molecular formula of CAS 851977-79-2 - C20H19N3O5S?
The molecular formula of CAS 851977-79-2 - C20H19N3O5S is C20H19N3O5S.
What is the molecular weight of CAS 851977-79-2 - C20H19N3O5S?
The molecular weight of CAS 851977-79-2 - C20H19N3O5S is 413.10 g/mol.
Where can I buy CAS 851977-79-2 - C20H19N3O5S?
You can request a quote for CAS 851977-79-2 - C20H19N3O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 851977-79-2 - C20H19N3O5S?
Yes, KEHONG BIO provides custom synthesis services for CAS 851977-79-2 - C20H19N3O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.